C-X-C chemokine receptor type 4
Intermolecular
Cysteine 186 and cysteine 5 of Viral macrophage inflammatory protein 2
Cysteine 109 and cysteine 5 of Viral macrophage inflammatory protein 2
Cysteine 28 and cysteine 34 of Viral macrophage inflammatory protein 2
Cysteine 274 and cysteine 34 of Viral macrophage inflammatory protein 2
Intramolecular
Cysteine 296 and cysteine 274
Cysteine 295 and cysteine 274
Cysteine 28 and cysteine 274
Cysteine 109 and cysteine 186
Cysteine 186 and cysteine 187
Cysteine 109 and cysteine 187
More...Cysteine 295 and cysteine 296
Cysteine 251 and cysteine 296
Cysteine 218 and cysteine 220
Cysteine 251 and cysteine 295
4rws A 186 C 5
A redox-regulated disulphide may form between cysteine 186 of C-X-C chemokine receptor type 4 and cysteine 5 of Viral macrophage inflammatory protein 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
186
Peptide B residue number
5
Ligandability
Cysteine 186 of C-X-C chemokine receptor type 4
Cysteine 5 of Viral macrophage inflammatory protein 2
Cysteine 5 in protein B could not be asigned to a Uniprot residue.
4rws A 109 C 5
A redox-regulated disulphide may form between cysteine 109 of C-X-C chemokine receptor type 4 and cysteine 5 of Viral macrophage inflammatory protein 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
51
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
109
Peptide B residue number
5
Ligandability
Cysteine 109 of C-X-C chemokine receptor type 4
Cysteine 5 of Viral macrophage inflammatory protein 2
Cysteine 5 in protein B could not be asigned to a Uniprot residue.
4rws A 28 C 11
A redox-regulated disulphide may form between cysteine 28 of C-X-C chemokine receptor type 4 and cysteine 34 of Viral macrophage inflammatory protein 2 (28 and 11 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
51
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
28
Peptide B residue number
34
Ligandability
Cysteine 28 of C-X-C chemokine receptor type 4
Cysteine 34 of Viral macrophage inflammatory protein 2
4rws A 274 C 11
A redox-regulated disulphide may form between cysteine 274 of C-X-C chemokine receptor type 4 and cysteine 34 of Viral macrophage inflammatory protein 2 (274 and 11 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
42
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide A name
C-X-C chemokine receptor type 4
Peptide B name
Viral macrophage inflammatory protein 2
Peptide A accession
P61073
Peptide B accession
Q98157
Peptide A residue number
274
Peptide B residue number
34
Ligandability
Cysteine 274 of C-X-C chemokine receptor type 4
Cysteine 34 of Viral macrophage inflammatory protein 2
3oe8 B 28 B 274
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 296 and 274 (28 and 274 respectively in this structure).
Details
Redox score ?
91
PDB code
3oe8
Structure name
crystal structure of the cxcr4 chemokine receptor in complex with a small molecule antagonist it1t in p1 spacegroup
Structure deposition date
2010-08-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
22
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
296
Residue number B
274
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 296 of C-X-C chemokine receptor type 4
Cysteine 274 of C-X-C chemokine receptor type 4
3oe8 C 28 C 274
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 295 and 274 (28 and 274 respectively in this structure).
Details
Redox score ?
90
PDB code
3oe8
Structure name
crystal structure of the cxcr4 chemokine receptor in complex with a small molecule antagonist it1t in p1 spacegroup
Structure deposition date
2010-08-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
27
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
295
Residue number B
274
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 295 of C-X-C chemokine receptor type 4
Cysteine 274 of C-X-C chemokine receptor type 4
3oe0 A 28 A 274
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 28 and 274.
Details
Redox score ?
87
PDB code
3oe0
Structure name
crystal structure of the cxcr4 chemokine receptor in complex with a cyclic peptide antagonist cvx15
Structure deposition date
2010-08-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
40
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
28
Residue number B
274
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 28 of C-X-C chemokine receptor type 4
Cysteine 274 of C-X-C chemokine receptor type 4
3oe9 A 109 A 186
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 109 and 186.
Details
Redox score ?
85
PDB code
3oe9
Structure name
crystal structure of the chemokine cxcr4 receptor in complex with a small molecule antagonist it1t in p1 spacegroup
Structure deposition date
2010-08-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
109
Residue number B
186
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 109 of C-X-C chemokine receptor type 4
Cysteine 186 of C-X-C chemokine receptor type 4
4rws A 186 A 187
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 186 and 187. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
54
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
186
Residue number B
187
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 186 of C-X-C chemokine receptor type 4
Cysteine 187 of C-X-C chemokine receptor type 4
Cysteine 187 in protein B could not be asigned to a Uniprot residue.
4rws A 109 A 187
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 109 and 187. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
51
PDB code
4rws
Structure name
crystal structure of cxcr4 and viral chemokine antagonist vmip-ii complex (psi community target)
Structure deposition date
2014-12-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P61073
Residue number A
109
Residue number B
187
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 109 of C-X-C chemokine receptor type 4
Cysteine 187 of C-X-C chemokine receptor type 4
Cysteine 187 in protein B could not be asigned to a Uniprot residue.
3odu A 295 A 296
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 295 and 296. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
50
PDB code
3odu
Structure name
the 2
Structure deposition date
2010-08-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
11
% buried
85
Peptide accession
P61073
Residue number A
295
Residue number B
296
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 295 of C-X-C chemokine receptor type 4
Cysteine 296 of C-X-C chemokine receptor type 4
3oe0 A 251 A 296
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 251 and 296. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
41
PDB code
3oe0
Structure name
crystal structure of the cxcr4 chemokine receptor in complex with a cyclic peptide antagonist cvx15
Structure deposition date
2010-08-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
60
Peptide accession
P61073
Residue number A
251
Residue number B
296
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 251 of C-X-C chemokine receptor type 4
Cysteine 296 of C-X-C chemokine receptor type 4
3odu A 218 A 220
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 218 and 220. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
3odu
Structure name
the 2
Structure deposition date
2010-08-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
30
Peptide accession
P61073
Residue number A
218
Residue number B
220
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 218 of C-X-C chemokine receptor type 4
Cysteine 220 of C-X-C chemokine receptor type 4
3oe8 B 251 B 295
A redox-regulated disulphide may form within C-X-C chemokine receptor type 4 between cysteines 251 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
38
PDB code
3oe8
Structure name
crystal structure of the cxcr4 chemokine receptor in complex with a small molecule antagonist it1t in p1 spacegroup
Structure deposition date
2010-08-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
80
Peptide accession
P61073
Residue number A
251
Residue number B
295
Peptide name
C-X-C chemokine receptor type 4
Ligandability
Cysteine 251 of C-X-C chemokine receptor type 4
Cysteine 295 of C-X-C chemokine receptor type 4
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